5-(3,4-dimethylphenyl)-N-[(2-methoxy-5-nitro-phenyl)carbamothioyl]furan-2-carboxamide

Systemtic Name: 5-(3,4-dimethylphenyl)-N-[(2-methoxy-5-nitro-phenyl)carbamothioyl]furan-2-carboxamide Openeye Name: 5-(3,4-dimethylphenyl)-N-[(2-methoxy-5-nitro-phenyl)carbamothioyl]furan-2-carboxamide CAS Name: 5-(3,4-dimethylphenyl)-N-[(2-methoxy-5-nitroanilino)-sulfanylidenemethyl]-2-furancarboxamide IUPAC Name: 5-(3,4-dimethylphenyl)-N-[(2-methoxy-5-nitrophenyl)carbamothioyl]furan-2-carboxamide Traditional Name: 5-(3,4-dimethylphenyl)-N-[(2-methoxy-5-nitro-phenyl)thiocarbamoyl]-2-furamide Formula: C21H19N3O5S MolecularWeight: 425.45766

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=CC=C(O2)C(=O)NC(=S)NC3=C(C=CC(=C3)[N+](=O)[O-])OC)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=CC=C(O2)C(=O)NC(=S)NC3=C(C=CC(=C3)[N+](=O)[O-])OC)C

InChI

InChI=1S/C21H19N3O5S/c1-12-4-5-14(10-13(12)2)17-8-9-19(29-17)20(25)23-21(30)22-16-11-15(24(26)27)6-7-18(16)28-3/h4-11H,1-3H3,(H2,22,23,25,30)